5-aminopentanoic acid

C5H11NO2 — CID 138

IUPAC5-aminopentanoic acid
SMILESNCCCCC(=O)O
InChIInChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
InChIKeyJJMDCOVWQOJGCB-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.20
Rot. Bonds4

About 5-aminopentanoic acid

5-aminopentanoic acid (PubChem CID 138) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 5-aminopentanoic acid.

Molecular Properties

Compound Name5-aminopentanoic acid
PubChem CID138
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name5-aminopentanoic acid
SMILESNCCCCC(=O)O
InChIInChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
InChIKeyJJMDCOVWQOJGCB-UHFFFAOYSA-N
XLogP0.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Aminolevulinic Acid
CID 137
L-(-)-Ornithine
CID 6262
6-Aminohexanoic Acid
CID 564
Ornithine hydrochloride
CID 76654
D-Ornithine
CID 71082
5-Ammoniopentanoate
CID 6992101
DL-ornithine hydrochloride
CID 71598
2,5-Diaminopentanoic Acid
CID 389
5-Amino-2-oxopentanoic acid
CID 439402
5-Aminovaleric acid hydrochloride
CID 69398
Ornithine Hydrochloride, (D)-
CID 443122
5-Aminovaleric Acid Hydroiodide (Low water content)
CID 118324268

Frequently Asked Questions

What is the IUPAC name of 5-aminopentanoic acid?
The IUPAC name of 5-aminopentanoic acid (CID 138) is 5-aminopentanoic acid.
What is the SMILES notation for 5-aminopentanoic acid?
The canonical SMILES for 5-aminopentanoic acid is NCCCCC(=O)O.
What is the InChIKey of 5-aminopentanoic acid?
The InChIKey is JJMDCOVWQOJGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8).
What are the key properties of 5-aminopentanoic acid?
5-aminopentanoic acid has a molecular weight of 117.15 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopentanoic acid is sourced from PubChem (CID 138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).